data_2939 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structures of Cyclic and Dicyclic Analogues of Growth Hormone Releasing factor as Determined by Two-Dimensional NMR an CD Spectroscopies and Constrained Molecular Dynamics ; _BMRB_accession_number 2939 _BMRB_flat_file_name bmr2939.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fry David C. . 2 Madison Vincent S. . 3 Greeley David N. . 4 Felix Arthur M. . 5 Heimer Edgar P. . 6 Frohman Lawrence . . 7 Campbell Robert M. . 8 Mowles Thomas F. . 9 Toome Voldemar . . 10 Wegrzynski Bogda B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Fry, David C., Madison, Vincent S., Greeley, David N., Felix, Arthur M., Heimer, Edgar P., Frohman, Lawrence, Campbell, Robert M., Mowles, Thomas F., Toome, Voldemar, Wegrzynski, Bogda B., "Solution Structures of Cyclic and Dicyclic Analogues of Growth Hormone Releasing factor as Determined by Two-Dimensional NMR an CD Spectroscopies and Constrained Molecular Dynamics," Biopolymers 32, 649-666 (1992). ; _Citation_title ; Solution Structures of Cyclic and Dicyclic Analogues of Growth Hormone Releasing factor as Determined by Two-Dimensional NMR an CD Spectroscopies and Constrained Molecular Dynamics ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fry David C. . 2 Madison Vincent S. . 3 Greeley David N. . 4 Felix Arthur M. . 5 Heimer Edgar P. . 6 Frohman Lawrence . . 7 Campbell Robert M. . 8 Mowles Thomas F. . 9 Toome Voldemar . . 10 Wegrzynski Bogda B. . stop_ _Journal_abbreviation Biopolymers _Journal_volume 32 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 649 _Page_last 666 _Year 1992 _Details . save_ ################################## # Molecular system description # ################################## save_system_growth_hormone_releasing_factor _Saveframe_category molecular_system _Mol_system_name 'growth hormone releasing factor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'growth hormone releasing factor' $growth_hormone_releasing_factor stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_growth_hormone_releasing_factor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'growth hormone releasing factor' _Name_variant 'aGRF ([Ala15]-GRF-(1-29)-NH2)' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; YADAIFTNSYRKVLAQLSAR KLLQDIMS ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 ALA 3 ASP 4 ALA 5 ILE 6 PHE 7 THR 8 ASN 9 SER 10 TYR 11 ARG 12 LYS 13 VAL 14 LEU 15 ALA 16 GLN 17 LEU 18 SER 19 ALA 20 ARG 21 LYS 22 LEU 23 LEU 24 GLN 25 ASP 26 ILE 27 MET 28 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 2940 "growth hormone releasing factor" 100.00 28 100.00 100.00 1.44e-09 BMRB 2941 "growth hormone releasing factor" 100.00 28 100.00 100.00 1.44e-09 REF XP_004272871 "PREDICTED: somatoliberin [Orcinus orca]" 100.00 106 100.00 100.00 1.66e-09 REF XP_004272872 "PREDICTED: somatoliberin [Orcinus orca]" 100.00 106 100.00 100.00 1.66e-09 REF XP_004313961 "PREDICTED: somatoliberin [Tursiops truncatus]" 100.00 106 100.00 100.00 1.66e-09 REF XP_006733707 "PREDICTED: somatoliberin [Leptonychotes weddellii]" 100.00 106 100.00 100.00 1.80e-09 REF XP_007447789 "PREDICTED: somatoliberin isoform X1 [Lipotes vexillifer]" 100.00 106 100.00 100.00 1.56e-09 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $growth_hormone_releasing_factor . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $growth_hormone_releasing_factor 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . na temperature 295 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis DSS H . . ppm 0 . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'growth hormone releasing factor' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 TYR HA H 4.1 . 1 2 . 1 TYR HB2 H 3.13 . 2 3 . 1 TYR HB3 H 3.03 . 2 4 . 1 TYR HD1 H 7.13 . 1 5 . 1 TYR HD2 H 7.13 . 1 6 . 1 TYR HE1 H 6.82 . 1 7 . 1 TYR HE2 H 6.82 . 1 8 . 2 ALA H H 8.34 . 1 9 . 2 ALA HA H 4.3 . 1 10 . 2 ALA HB H 1.35 . 1 11 . 3 ASP H H 8.35 . 1 12 . 3 ASP HA H 4.56 . 1 13 . 3 ASP HB2 H 2.73 . 1 14 . 3 ASP HB3 H 2.73 . 1 15 . 4 ALA H H 8.57 . 1 16 . 4 ALA HA H 4.22 . 1 17 . 4 ALA HB H 1.44 . 1 18 . 5 ILE H H 8.02 . 1 19 . 5 ILE HA H 3.88 . 1 20 . 5 ILE HB H 1.96 . 1 21 . 5 ILE HG12 H 1.41 . 2 22 . 5 ILE HG13 H 1.16 . 2 23 . 5 ILE HG2 H .76 . 1 24 . 5 ILE HD1 H .85 . 1 25 . 6 PHE H H 8.28 . 1 26 . 6 PHE HA H 4.4 . 1 27 . 6 PHE HB2 H 3.2 . 1 28 . 6 PHE HB3 H 3.2 . 1 29 . 6 PHE HD1 H 7.24 . 1 30 . 6 PHE HD2 H 7.24 . 1 31 . 6 PHE HE1 H 7.15 . 1 32 . 6 PHE HE2 H 7.15 . 1 33 . 6 PHE HZ H 7.25 . 1 34 . 7 THR H H 8.29 . 1 35 . 7 THR HA H 4 . 1 36 . 7 THR HB H 4.28 . 1 37 . 7 THR HG2 H 1.27 . 1 38 . 8 ASN H H 8.35 . 1 39 . 8 ASN HA H 4.56 . 1 40 . 8 ASN HB2 H 2.92 . 2 41 . 8 ASN HB3 H 2.82 . 2 42 . 8 ASN HD21 H 7.78 . 2 43 . 8 ASN HD22 H 7.06 . 2 44 . 9 SER H H 8.17 . 1 45 . 9 SER HA H 4.19 . 1 46 . 9 SER HB2 H 3.98 . 1 47 . 9 SER HB3 H 3.98 . 1 48 . 10 TYR H H 8.34 . 1 49 . 10 TYR HA H 4.17 . 1 50 . 10 TYR HB2 H 2.96 . 2 51 . 10 TYR HB3 H 2.87 . 2 52 . 10 TYR HD1 H 6.98 . 1 53 . 10 TYR HD2 H 6.98 . 1 54 . 10 TYR HE1 H 6.73 . 1 55 . 10 TYR HE2 H 6.73 . 1 56 . 11 ARG H H 8.19 . 1 57 . 11 ARG HA H 3.82 . 1 58 . 11 ARG HB2 H 1.93 . 1 59 . 11 ARG HB3 H 1.93 . 1 60 . 11 ARG HG2 H 1.77 . 1 61 . 11 ARG HG3 H 1.77 . 1 62 . 11 ARG HD2 H 3.26 . 2 63 . 11 ARG HD3 H 3.2 . 2 64 . 12 LYS H H 7.81 . 1 65 . 12 LYS HA H 4.02 . 1 66 . 12 LYS HB2 H 1.97 . 1 67 . 12 LYS HB3 H 1.97 . 1 68 . 12 LYS HG2 H 1.4 . 1 69 . 12 LYS HG3 H 1.4 . 1 70 . 12 LYS HD2 H 1.64 . 1 71 . 12 LYS HD3 H 1.64 . 1 72 . 12 LYS HE2 H 3 . 1 73 . 12 LYS HE3 H 3 . 1 74 . 13 VAL H H 7.88 . 1 75 . 13 VAL HA H 3.68 . 1 76 . 13 VAL HB H 2.15 . 1 77 . 13 VAL HG1 H 1.07 . 2 78 . 13 VAL HG2 H .91 . 2 79 . 14 LEU H H 8.15 . 1 80 . 14 LEU HA H 3.93 . 1 81 . 14 LEU HB2 H 1.64 . 1 82 . 14 LEU HB3 H 1.64 . 1 83 . 14 LEU HG H 1.46 . 1 84 . 14 LEU HD1 H .87 . 2 85 . 14 LEU HD2 H .76 . 2 86 . 15 ALA H H 8.14 . 1 87 . 15 ALA HA H 4.13 . 1 88 . 15 ALA HB H 1.55 . 1 89 . 16 GLN H H 8.09 . 1 90 . 16 GLN HA H 4.06 . 1 91 . 16 GLN HB2 H 2.34 . 2 92 . 16 GLN HB3 H 2.13 . 2 93 . 16 GLN HG2 H 2.58 . 1 94 . 16 GLN HG3 H 2.58 . 1 95 . 16 GLN HE21 H 7.43 . 2 96 . 16 GLN HE22 H 6.83 . 2 97 . 17 LEU H H 8.54 . 1 98 . 17 LEU HA H 4.08 . 1 99 . 17 LEU HB2 H 1.89 . 2 100 . 17 LEU HB3 H 1.57 . 2 101 . 17 LEU HG H 1.85 . 1 102 . 17 LEU HD1 H .87 . 1 103 . 17 LEU HD2 H .87 . 1 104 . 18 SER H H 8.36 . 1 105 . 18 SER HA H 4.17 . 1 106 . 18 SER HB2 H 4.06 . 2 107 . 18 SER HB3 H 3.95 . 2 108 . 19 ALA H H 8.04 . 1 109 . 19 ALA HA H 4.13 . 1 110 . 19 ALA HB H 1.55 . 1 111 . 20 ARG H H 8.04 . 1 112 . 20 ARG HA H 3.98 . 1 113 . 20 ARG HB2 H 1.98 . 1 114 . 20 ARG HB3 H 1.98 . 1 115 . 20 ARG HG2 H 1.77 . 1 116 . 20 ARG HG3 H 1.77 . 1 117 . 20 ARG HD2 H 3.26 . 2 118 . 20 ARG HD3 H 3.2 . 2 119 . 21 LYS H H 8.02 . 1 120 . 21 LYS HA H 4.09 . 1 121 . 21 LYS HB2 H 2.02 . 1 122 . 21 LYS HB3 H 2.02 . 1 123 . 21 LYS HG2 H 1.68 . 1 124 . 21 LYS HG3 H 1.68 . 1 125 . 21 LYS HD2 H 1.68 . 1 126 . 21 LYS HD3 H 1.68 . 1 127 . 21 LYS HE2 H 2.95 . 1 128 . 21 LYS HE3 H 2.95 . 1 129 . 22 LEU H H 8 . 1 130 . 22 LEU HA H 4.21 . 1 131 . 22 LEU HB2 H 1.82 . 2 132 . 22 LEU HB3 H 1.72 . 2 133 . 22 LEU HG H 1.74 . 1 134 . 22 LEU HD1 H .98 . 2 135 . 22 LEU HD2 H .92 . 2 136 . 23 LEU H H 7.93 . 1 137 . 23 LEU HA H 4.08 . 1 138 . 23 LEU HB2 H 1.76 . 1 139 . 23 LEU HB3 H 1.76 . 1 140 . 23 LEU HG H 1.86 . 1 141 . 23 LEU HD1 H .91 . 2 142 . 23 LEU HD2 H .89 . 2 143 . 24 GLN H H 8.2 . 1 144 . 24 GLN HA H 3.98 . 1 145 . 24 GLN HB2 H 2.27 . 2 146 . 24 GLN HB3 H 2.17 . 2 147 . 24 GLN HG2 H 2.49 . 2 148 . 24 GLN HG3 H 2.38 . 2 149 . 24 GLN HE21 H 7.56 . 2 150 . 24 GLN HE22 H 6.82 . 2 151 . 25 ASP H H 8.58 . 1 152 . 25 ASP HA H 4.4 . 1 153 . 25 ASP HB2 H 2.99 . 2 154 . 25 ASP HB3 H 2.67 . 2 155 . 26 ILE H H 8.34 . 1 156 . 26 ILE HA H 3.73 . 1 157 . 26 ILE HB H 2.01 . 1 158 . 26 ILE HG12 H 1.82 . 2 159 . 26 ILE HG13 H 1.17 . 2 160 . 26 ILE HG2 H .94 . 1 161 . 26 ILE HD1 H .86 . 1 162 . 27 MET H H 8.39 . 1 163 . 27 MET HA H 4.28 . 1 164 . 27 MET HB2 H 2.16 . 1 165 . 27 MET HB3 H 2.16 . 1 166 . 27 MET HG2 H 2.75 . 2 167 . 27 MET HG3 H 2.62 . 2 168 . 27 MET HE H 2.08 . 1 169 . 28 SER H H 8.1 . 1 170 . 28 SER HA H 4.34 . 1 171 . 28 SER HB2 H 4.02 . 1 172 . 28 SER HB3 H 4.02 . 1 stop_ save_